5,5,5-trichloropent-2-enyl N-butylcarbamate
TL;DR: 5,5,5-trichloropent-2-enyl N-butylcarbamate (CAS 5012-52-2) is a chemical compound with molecular formula C10H16Cl3NO2 and molecular weight 287.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,5-trichloropent-2-enyl N-butylcarbamate
Also Known As: 5,5,5-trichloropent-2-enyl N-butylcarbamate, Carbamic acid, butyl-,5,5,5-trichloro-2-pentenyl ester (7CI,8CI)
| Molecular Formula | C10H16Cl3NO2 |
|---|---|
| Molecular Weight | 287.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.02466 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 5012-52-2 |
|---|---|
| SMILES | CCCCNC(=O)OCC=CCC(Cl)(Cl)Cl |
| InChIKey | HKZWJLDDNLYRGJ-UHFFFAOYSA-N |
Product Overview
5,5,5-trichloropent-2-enyl N-butylcarbamate (CAS 5012-52-2), with molecular formula C10H16Cl3NO2 and molecular weight 287.02 g/mol. IUPAC: 5,5,5-trichloropent-2-enyl N-butylcarbamate.
Chemical Property Profile of 5,5,5-trichloropent-2-enyl N-butylcarbamate
Property Insights of 5,5,5-trichloropent-2-enyl N-butylcarbamate
The XLogP value of 3.8 indicates that 5,5,5-trichloropent-2-enyl N-butylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 5,5,5-trichloropent-2-enyl N-butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5,5-trichloropent-2-enyl N-butylcarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5,5-trichloropent-2-enyl N-butylcarbamate?
The CAS number of 5,5,5-trichloropent-2-enyl N-butylcarbamate is 5012-52-2.
What is the molecular formula of 5,5,5-trichloropent-2-enyl N-butylcarbamate?
The molecular formula of 5,5,5-trichloropent-2-enyl N-butylcarbamate is C10H16Cl3NO2.
What is the molecular weight of 5,5,5-trichloropent-2-enyl N-butylcarbamate?
The molecular weight of 5,5,5-trichloropent-2-enyl N-butylcarbamate is 287.02 g/mol.
Where can I buy 5,5,5-trichloropent-2-enyl N-butylcarbamate?
You can request a quote for 5,5,5-trichloropent-2-enyl N-butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5,5-trichloropent-2-enyl N-butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 5,5,5-trichloropent-2-enyl N-butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.